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WWCXKFZTMXGIQO-BVDNDJHXSA-N

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WWCXKFZTMXGIQO-BVDNDJHXSA-N
SpectraBase Compound ID 91Ny9pu0Bye
InChI InChI=1S/C25H25NO4.3CO.Fe/c1-30-24(28)15-9-8-14-23(27)21-17-26(16-19-10-4-2-5-11-19)18-22(21)25(29)20-12-6-3-7-13-20;3*1-2;/h2-15,21-22H,16-18H2,1H3;;;;/t21-,22+;;;;/m1..../s1
InChIKey WWCXKFZTMXGIQO-BVDNDJHXSA-N
Mol Weight 543.35 g/mol
Molecular Formula C28H25FeNO7
Exact Mass 543.098038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kWqmkpUzOz
Name WWCXKFZTMXGIQO-BVDNDJHXSA-N
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H25FeNO7
InChI InChI=1S/C25H25NO4.3CO.Fe/c1-30-24(28)15-9-8-14-23(27)21-17-26(16-19-10-4-2-5-11-19)18-22(21)25(29)20-12-6-3-7-13-20;3*1-2;/h2-15,21-22H,16-18H2,1H3;;;;/t21-,22+;;;;/m1..../s1
InChIKey WWCXKFZTMXGIQO-BVDNDJHXSA-N
Literature Reference Author N.J.MARCHAND,D.M.GREE,J.T.MARTELLI,R.L.GREE,L.J.TOUPET
Literature Reference Citation J.ORG.CHEM.,61,5063(1996)
Literature Reference DOI 10.1021/jo9603643
Molecular Weight 543.356 g/mol
Solvent CDCl3
Source File Reference UWKP358